CID 5356210

10598-87-5

Structural Information

Molecular Formula
C10H12N4O6
SMILES
CCOC(=O)CN(C(=O)N)/N=C/C1=CC=C(O1)[N+](=O)[O-]
InChI
InChI=1S/C10H12N4O6/c1-2-19-9(15)6-13(10(11)16)12-5-7-3-4-8(20-7)14(17)18/h3-5H,2,6H2,1H3,(H2,11,16)/b12-5+
InChIKey
ONHUPCAVZVIYFY-LFYBBSHMSA-N
Compound name
ethyl 2-[carbamoyl-[(E)-(5-nitrofuran-2-yl)methylideneamino]amino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07568 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.082956 160.9
[M+Na]+ 307.064898 164.9
[M-H]- 283.068404 167.3
[M+NH4]+ 302.109503 175.6
[M+K]+ 323.038838 163.1
[M+H-H2O]+ 267.072940 157.3
[M+HCOO]- 329.073881 189.4
[M+CH3COO]- 343.089531 202.0
[M+Na-2H]- 305.050346 165.9
[M]+ 284.07513142 162.8
[M]- 284.07622858 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.